Chapter 15. Efficient Use of Computer Resources
Published Online: 25 APR 2002
DOI: 10.1002/0471220655.ch15
Copyright © 2001 John Wiley & Sons, Inc.
Book Title
Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems
Additional Information
How to Cite
Young, D. C. (2002) Efficient Use of Computer Resources, in Computational Chemistry: A Practical Guide for Applying Techniques to Real World Problems, John Wiley & Sons, Inc., New York, USA. doi: 10.1002/0471220655.ch15
Publication History
- Published Online: 25 APR 2002
- Published Print: 21 FEB 2001
ISBN Information
Print ISBN: 9780471333685
Online ISBN: 9780471220657
- Summary
- Chapter
Keywords:
- RAM;
- time complexity;
- geometry optimization;
- CPU;
- parallel computing
Summary
Chapter fifteen is devoted to the pragmatic issue making efficient use of computer resources. A discussion of the merits and limitations of parallel computers and clusters is presented. Issues pertaining to how computer CPU time, memory, and disk space usage increase with increasing molecular size are presented.